N-[6-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-(pivaloylthiocarbamoylamino)-1,3-benzothiazol-2-yl]-2-furamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H18N4O3S2/c1-18(2,3)15(24)22-16(26)19-10-6-7-11-13(9-10)27-17(20-11)21-14(23)12-5-4-8-25-12/h4-9H,1-3H3,(H,20,21,23)(H2,19,22,24,26)